4,4,5-tribromo-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine

C9H15Br3F2N2O2 — CID 139932683

IUPAC4,4,5-tribromo-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine
SMILESCOCCN1C(Br)C(Br)(Br)N(CCOC)C1(F)F
InChIInChI=1S/C9H15Br3F2N2O2/c1-17-5-3-15-7(10)8(11,12)16(4-6-18-2)9(15,13)14/h7H,3-6H2,1-2H3
InChIKeyJSWUARAQMRPEEK-UHFFFAOYSA-N
MW460.94 g/mol
LogP2.61
Rot. Bonds6

About 4,4,5-tribromo-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine

4,4,5-tribromo-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine (PubChem CID 139932683) has the molecular formula C9H15Br3F2N2O2 and a molecular weight of 460.94 g/mol. Its IUPAC name is 4,4,5-tribromo-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine.

Molecular Properties

Compound Name4,4,5-tribromo-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine
PubChem CID139932683
Molecular FormulaC9H15Br3F2N2O2
Molecular Weight460.94 g/mol
Exact Mass457.87
IUPAC Name4,4,5-tribromo-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine
SMILESCOCCN1C(Br)C(Br)(Br)N(CCOC)C1(F)F
InChIInChI=1S/C9H15Br3F2N2O2/c1-17-5-3-15-7(10)8(11,12)16(4-6-18-2)9(15,13)14/h7H,3-6H2,1-2H3
InChIKeyJSWUARAQMRPEEK-UHFFFAOYSA-N
XLogP2.61
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-Bromo-4-chloro-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine
CID 139932608
2,2-Difluoro-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidine
CID 139932612
2,2,4,4-Tetrafluoro-1,3-bis(2-methoxyethyl)imidazolidine
CID 139932617
4-Bromo-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine
CID 139932619
4,5-Dibromo-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine
CID 139932627
2,2,4,5-Tetrafluoro-1,3-bis(2-methoxyethyl)imidazolidine
CID 139932642
2,2,4-Trifluoro-1,3-bis(2-methoxyethyl)imidazolidine
CID 139932646
1,3-Bis[2-(difluoromethoxy)ethyl]-2,2-difluoroimidazolidine
CID 139932665
1-(2-Ethoxyethyl)-2,2-difluoro-3-(2-methoxyethyl)imidazolidine
CID 139932682
4,4-Dibromo-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine
CID 139932684
1-Ethyl-2,2-difluoro-3-(2-methoxyethyl)imidazolidine
CID 139932692
4,4-Dibromo-2,2-difluoro-1,3-bis(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidine
CID 139932696

Frequently Asked Questions

What is the IUPAC name of 4,4,5-tribromo-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine?
The IUPAC name of 4,4,5-tribromo-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine (CID 139932683) is 4,4,5-tribromo-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine.
What is the SMILES notation for 4,4,5-tribromo-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine?
The canonical SMILES for 4,4,5-tribromo-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine is COCCN1C(Br)C(Br)(Br)N(CCOC)C1(F)F.
What is the InChIKey of 4,4,5-tribromo-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine?
The InChIKey is JSWUARAQMRPEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Br3F2N2O2/c1-17-5-3-15-7(10)8(11,12)16(4-6-18-2)9(15,13)14/h7H,3-6H2,1-2H3.
What are the key properties of 4,4,5-tribromo-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine?
4,4,5-tribromo-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine has a molecular weight of 460.94 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-tribromo-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine is sourced from PubChem (CID 139932683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).